data_6shr_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6shr _Structure_validation_residue.Date_analyzed 2020-08-21 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 113.867 1.062 . . . . 111.82 113.867 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 p -69.99 1.33 4.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.647 1.351 . . . . 97.37 114.647 168.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.85 -11.88 32.46 Favored 'General case' 0 C--O 1.175 -2.857 0 CA-C-O 118.73 -0.653 . . . . 100.45 110.507 176.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -81.25 145.48 30.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 120.86 1.663 . . . . 113.28 107.519 -172.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.3 m -58.84 138.77 86.97 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 104.726 -2.324 . . . . 30.86 104.726 178.878 -83.518 -74.2 -85.104 104.063 2.118 104.136 -70.856 -64.04 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -65.61 -30.18 51.59 Favored 'Trans proline' 0 C--O 1.171 -2.863 0 N-CA-C 115.925 1.471 . . . . 36.39 115.925 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 m -101.35 96.09 6.94 Favored 'General case' 0 N--CA 1.406 -2.627 0 C-N-CA 125.246 1.418 . . . . 33.47 112.282 178.743 -77.296 -66.323 -85.115 105.057 2.083 105.328 -111.562 -60.971 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -79.05 -35.39 42.64 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 116.697 2.11 . . . . 91.46 116.697 172.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -136.8 156.17 48.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.52 -1.363 . . . . 44.94 107.753 -178.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -128.21 154.94 45.27 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 123.688 1.709 . . . . 40.51 115.161 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -92.78 135.75 33.84 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 112.534 -2.121 . . . . 38.74 110.227 172.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -97.36 -21.24 17.32 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 115.206 -2.33 . . . . 74.08 115.996 -174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -131.4 41.11 3.35 Favored 'General case' 0 C--O 1.276 2.495 0 CA-C-N 120.952 1.705 . . . . 90.48 113.109 -163.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.76 139.15 18.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 125.523 1.529 . . . . 41.46 107.584 176.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.78 139.75 38.58 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 113.685 -1.598 . . . . 49.29 110.257 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . 0.945 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 0.5 OUTLIER -47.24 -43.49 21.92 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.836 2.585 . . . . 52.58 110.709 178.577 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.82 -19.64 65.96 Favored 'General case' 0 C--O 1.258 1.521 0 N-CA-C 116.711 2.115 . . . . 47.35 116.711 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -97.94 19.3 14.13 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 117.773 -1.571 . . . . 40.02 113.746 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.78 121.54 62.88 Favored 'Isoleucine or valine' 0 C--O 1.277 2.507 0 CA-C-O 114.965 -2.445 . . . . 35.64 110.947 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -67.49 -47.94 68.56 Favored 'General case' 0 C--O 1.265 1.88 0 O-C-N 125.378 1.674 . . . . 54.12 110.505 168.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -161.35 165.55 28.83 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 107.462 -1.31 . . . . 29.84 107.462 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.44 142.81 33.61 Favored 'General case' 0 C--O 1.185 -2.318 0 N-CA-C 106.871 -1.529 . . . . 29.51 106.871 166.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . 0.664 ' NZ ' ' OE1' ' A' ' 48' ' ' GLN . 25.1 mttp -119.38 116.28 25.85 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 107.609 -1.256 . . . . 36.64 107.609 165.557 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -102.55 107.95 23.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.217 0 CA-C-N 115.256 -0.884 . . . . 31.26 108.665 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -81.33 141.85 33.63 Favored 'General case' 0 C--O 1.186 -2.25 0 N-CA-C 108.832 -0.803 . . . . 29.19 108.832 -165.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.7 75.22 8.25 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 107.453 -1.314 . . . . 31.6 107.453 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.0 p -132.92 72.29 77.11 Favored Pre-proline 0 N--CA 1.517 2.89 0 O-C-N 127.274 2.859 . . . . 31.23 107.861 -171.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -67.96 -15.88 44.31 Favored 'Trans proline' 0 CA--C 1.589 3.256 0 C-N-CA 116.626 -1.783 . . . . 52.9 111.848 -179.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.258 84.3 m-20 -74.34 -9.58 58.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.667 -2.521 . . . . 44.38 111.147 177.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.8 m -117.09 150.99 37.76 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 116.722 -1.608 . . . . 35.01 110.212 -160.616 -64.04 -70.856 -85.104 104.136 2.118 104.063 -74.2 -83.518 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.36 -34.85 61.18 Favored 'General case' 0 C--O 1.195 -1.815 0 O-C-N 124.74 1.275 . . . . 41.17 113.587 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.19 124.0 44.65 Favored 'General case' 0 N--CA 1.403 -2.817 0 CA-C-O 121.946 0.879 . . . . 34.33 109.616 -171.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -123.51 -1.35 8.57 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 113.782 -1.554 . . . . 36.7 113.284 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -108.06 124.58 64.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.316 0 CA-C-O 124.106 1.907 . . . . 31.6 108.981 -171.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -120.89 134.8 63.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 C-N-CA 125.643 1.577 . . . . 27.03 109.068 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.52 133.17 53.04 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 124.432 1.082 . . . . 26.99 111.67 171.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -96.88 124.29 40.82 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.905 -1.887 . . . . 53.93 105.905 168.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.31 141.17 28.88 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-O 122.772 1.272 . . . . 32.24 109.865 -166.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -66.98 -46.8 73.48 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.917 2.191 . . . . 62.11 116.917 -179.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -66.65 -44.44 81.9 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 68.89 110.273 -174.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -120.79 0.41 10.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 117.377 2.362 . . . . 55.1 117.377 -173.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t30 60.99 20.07 10.47 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 113.37 0.878 . . . . 55.57 113.37 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -79.35 148.6 31.98 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 105.707 -1.96 . . . . 68.69 105.707 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . 0.664 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 31.3 mt-30 -100.0 124.58 45.51 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 124.545 1.153 . . . . 52.83 110.897 162.453 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 m -127.53 148.65 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.836 0 CA-C-O 123.759 1.743 . . . . 29.18 110.735 -178.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.36 140.0 29.98 Favored 'General case' 0 CA--C 1.49 -1.363 0 O-C-N 118.759 -2.463 . . . . 31.02 108.488 172.254 -60.971 -111.562 -85.115 105.328 2.083 105.057 -66.323 -77.296 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 pt -120.3 158.25 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.263 0 CA-C-O 124.483 2.087 . . . . 38.07 114.235 -175.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -65.45 117.37 39.96 Favored Pre-proline 0 N--CA 1.4 -2.943 0 CA-C-N 114.309 -1.314 . . . . 37.3 113.041 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.76 -17.24 52.07 Favored 'Trans proline' 0 C--N 1.321 -0.876 0 O-C-N 125.116 2.114 . . . . 39.18 114.429 -175.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -79.44 -10.36 59.79 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.03 2.233 . . . . 66.85 117.03 172.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.5 mt -48.39 125.07 8.96 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 119.983 -1.698 . . . . 52.28 110.452 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -65.53 -37.94 88.19 Favored 'General case' 0 N--CA 1.411 -2.389 0 C-N-CA 119.002 -1.079 . . . . 121.01 110.339 -165.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.78 -16.12 60.41 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 116.416 2.006 . . . . 42.61 116.416 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.58 -41.43 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 105.327 -2.101 . . . . 41.49 105.327 -166.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.71 -40.71 84.26 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.827 -1.545 . . . . 77.77 106.827 -170.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -68.25 -41.06 81.68 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.271 -0.893 . . . . 120.58 111.51 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.28 -47.64 84.61 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 113.436 0.902 . . . . 35.24 113.436 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.81 -36.04 79.7 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.518 1.303 . . . . 35.86 114.518 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.69 -45.07 95.55 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.277 1.037 . . . . 78.98 108.662 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -55.05 -47.38 74.9 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.623 1.202 . . . . 78.41 114.112 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -24.47 46.95 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 116.816 2.154 . . . . 32.97 116.816 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.61 -1.29 45.99 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-O 115.802 -2.047 . . . . 47.81 115.322 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 55.25 59.22 4.09 Favored 'General case' 0 N--CA 1.534 3.729 0 N-CA-C 104.337 -2.468 . . . . 75.6 104.337 159.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt . . . . . 0 N--CA 1.51 2.545 0 N-CA-C 117.457 2.392 . . . . 99.6 117.457 -168.962 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.945 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 113.867 1.062 . . . . 111.82 113.867 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 p -69.99 1.33 4.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.647 1.351 . . . . 97.37 114.647 168.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.85 -11.88 32.46 Favored 'General case' 0 C--O 1.175 -2.857 0 CA-C-O 118.73 -0.653 . . . . 100.45 110.507 176.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -81.25 145.48 30.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 120.86 1.663 . . . . 113.28 107.519 -172.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.3 m -58.84 138.77 86.97 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 104.726 -2.324 . . . . 30.86 104.726 178.878 -83.518 -74.2 -85.104 104.063 2.118 104.136 -70.856 -64.04 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -65.61 -30.18 51.59 Favored 'Trans proline' 0 C--O 1.171 -2.863 0 N-CA-C 115.925 1.471 . . . . 36.39 115.925 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 m -101.35 96.09 6.94 Favored 'General case' 0 N--CA 1.406 -2.627 0 C-N-CA 125.246 1.418 . . . . 33.47 112.282 178.743 -77.296 -66.323 -85.115 105.057 2.083 105.328 -111.562 -60.971 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -79.05 -35.39 42.64 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 116.697 2.11 . . . . 91.46 116.697 172.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -136.8 156.17 48.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.52 -1.363 . . . . 44.94 107.753 -178.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -128.21 154.94 45.27 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 123.688 1.709 . . . . 40.51 115.161 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -92.78 135.75 33.84 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 112.534 -2.121 . . . . 38.74 110.227 172.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -97.36 -21.24 17.32 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 115.206 -2.33 . . . . 74.08 115.996 -174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -131.4 41.11 3.35 Favored 'General case' 0 C--O 1.276 2.495 0 CA-C-N 120.952 1.705 . . . . 90.48 113.109 -163.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.76 139.15 18.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 125.523 1.529 . . . . 41.46 107.584 176.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.78 139.75 38.58 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 113.685 -1.598 . . . . 49.29 110.257 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 0.945 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 0.5 OUTLIER -47.24 -43.49 21.92 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.836 2.585 . . . . 52.58 110.709 178.577 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.82 -19.64 65.96 Favored 'General case' 0 C--O 1.258 1.521 0 N-CA-C 116.711 2.115 . . . . 47.35 116.711 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -97.94 19.3 14.13 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 117.773 -1.571 . . . . 40.02 113.746 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.78 121.54 62.88 Favored 'Isoleucine or valine' 0 C--O 1.277 2.507 0 CA-C-O 114.965 -2.445 . . . . 35.64 110.947 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -67.49 -47.94 68.56 Favored 'General case' 0 C--O 1.265 1.88 0 O-C-N 125.378 1.674 . . . . 54.12 110.505 168.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -161.35 165.55 28.83 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 107.462 -1.31 . . . . 29.84 107.462 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.44 142.81 33.61 Favored 'General case' 0 C--O 1.185 -2.318 0 N-CA-C 106.871 -1.529 . . . . 29.51 106.871 166.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -119.38 116.28 25.85 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 107.609 -1.256 . . . . 36.64 107.609 165.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -102.55 107.95 23.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.217 0 CA-C-N 115.256 -0.884 . . . . 31.26 108.665 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -81.33 141.85 33.63 Favored 'General case' 0 C--O 1.186 -2.25 0 N-CA-C 108.832 -0.803 . . . . 29.19 108.832 -165.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.7 75.22 8.25 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 107.453 -1.314 . . . . 31.6 107.453 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.0 p -132.92 72.29 77.11 Favored Pre-proline 0 N--CA 1.517 2.89 0 O-C-N 127.274 2.859 . . . . 31.23 107.861 -171.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -67.96 -15.88 44.31 Favored 'Trans proline' 0 CA--C 1.589 3.256 0 C-N-CA 116.626 -1.783 . . . . 52.9 111.848 -179.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.258 84.3 m-20 -74.34 -9.58 58.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.667 -2.521 . . . . 44.38 111.147 177.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.8 m -117.09 150.99 37.76 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 116.722 -1.608 . . . . 35.01 110.212 -160.616 -64.04 -70.856 -85.104 104.136 2.118 104.063 -74.2 -83.518 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.36 -34.85 61.18 Favored 'General case' 0 C--O 1.195 -1.815 0 O-C-N 124.74 1.275 . . . . 41.17 113.587 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.19 124.0 44.65 Favored 'General case' 0 N--CA 1.403 -2.817 0 CA-C-O 121.946 0.879 . . . . 34.33 109.616 -171.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -123.51 -1.35 8.57 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 113.782 -1.554 . . . . 36.7 113.284 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -108.06 124.58 64.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.316 0 CA-C-O 124.106 1.907 . . . . 31.6 108.981 -171.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -120.89 134.8 63.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 C-N-CA 125.643 1.577 . . . . 27.03 109.068 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.52 133.17 53.04 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 124.432 1.082 . . . . 26.99 111.67 171.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -96.88 124.29 40.82 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.905 -1.887 . . . . 53.93 105.905 168.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.31 141.17 28.88 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-O 122.772 1.272 . . . . 32.24 109.865 -166.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -66.98 -46.8 73.48 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.917 2.191 . . . . 62.11 116.917 -179.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -66.65 -44.44 81.9 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 68.89 110.273 -174.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -120.79 0.41 10.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 117.377 2.362 . . . . 55.1 117.377 -173.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t30 60.99 20.07 10.47 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 113.37 0.878 . . . . 55.57 113.37 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -79.35 148.6 31.98 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 105.707 -1.96 . . . . 68.69 105.707 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -100.0 124.58 45.51 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 124.545 1.153 . . . . 52.83 110.897 162.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 m -127.53 148.65 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.836 0 CA-C-O 123.759 1.743 . . . . 29.18 110.735 -178.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.36 140.0 29.98 Favored 'General case' 0 CA--C 1.49 -1.363 0 O-C-N 118.759 -2.463 . . . . 31.02 108.488 172.254 -60.971 -111.562 -85.115 105.328 2.083 105.057 -66.323 -77.296 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . 0.411 HD12 HD11 ' A' ' 58' ' ' ILE . 20.0 pt -120.3 158.25 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.263 0 CA-C-O 124.483 2.087 . . . . 38.07 114.235 -175.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -65.45 117.37 39.96 Favored Pre-proline 0 N--CA 1.4 -2.943 0 CA-C-N 114.309 -1.314 . . . . 37.3 113.041 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.76 -17.24 52.07 Favored 'Trans proline' 0 C--N 1.321 -0.876 0 O-C-N 125.116 2.114 . . . . 39.18 114.429 -175.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -79.44 -10.36 59.79 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.03 2.233 . . . . 66.85 117.03 172.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.5 mt -48.39 125.07 8.96 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 119.983 -1.698 . . . . 52.28 110.452 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -65.53 -37.94 88.19 Favored 'General case' 0 N--CA 1.411 -2.389 0 C-N-CA 119.002 -1.079 . . . . 121.01 110.339 -165.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TRP . . . . . 0.471 ' CE3' ' HG3' ' A' ' 20' ' ' ARG . 58.6 p-90 -63.78 -16.12 60.41 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 116.416 2.006 . . . . 42.61 116.416 -175.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD11 HD12 ' A' ' 51' ' ' ILE . 55.7 mt -71.58 -41.43 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 105.327 -2.101 . . . . 41.49 105.327 -166.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -67.71 -40.71 84.26 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.827 -1.545 . . . . 77.77 106.827 -170.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -68.25 -41.06 81.68 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.271 -0.893 . . . . 120.58 111.51 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.28 -47.64 84.61 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 113.436 0.902 . . . . 35.24 113.436 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.81 -36.04 79.7 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.518 1.303 . . . . 35.86 114.518 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.69 -45.07 95.55 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.277 1.037 . . . . 78.98 108.662 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -55.05 -47.38 74.9 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.623 1.202 . . . . 78.41 114.112 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -24.47 46.95 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 116.816 2.154 . . . . 32.97 116.816 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.61 -1.29 45.99 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-O 115.802 -2.047 . . . . 47.81 115.322 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 55.25 59.22 4.09 Favored 'General case' 0 N--CA 1.534 3.729 0 N-CA-C 104.337 -2.468 . . . . 75.6 104.337 159.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt . . . . . 0 N--CA 1.51 2.545 0 N-CA-C 117.457 2.392 . . . . 99.6 117.457 -168.962 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.945 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 113.867 1.062 . . . . 111.82 113.867 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 p -69.99 1.33 4.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.647 1.351 . . . . 97.37 114.647 168.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.85 -11.88 32.46 Favored 'General case' 0 C--O 1.175 -2.857 0 CA-C-O 118.73 -0.653 . . . . 100.45 110.507 176.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -81.25 145.48 30.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 120.86 1.663 . . . . 113.28 107.519 -172.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.3 m -58.84 138.77 86.97 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 104.726 -2.324 . . . . 30.86 104.726 178.878 -83.518 -74.2 -85.104 104.063 2.118 104.136 -70.856 -64.04 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -65.61 -30.18 51.59 Favored 'Trans proline' 0 C--O 1.171 -2.863 0 N-CA-C 115.925 1.471 . . . . 36.39 115.925 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 m -101.35 96.09 6.94 Favored 'General case' 0 N--CA 1.406 -2.627 0 C-N-CA 125.246 1.418 . . . . 33.47 112.282 178.743 -77.296 -66.323 -85.115 105.057 2.083 105.328 -111.562 -60.971 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -79.05 -35.39 42.64 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 116.697 2.11 . . . . 91.46 116.697 172.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -136.8 156.17 48.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.52 -1.363 . . . . 44.94 107.753 -178.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -128.21 154.94 45.27 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 123.688 1.709 . . . . 40.51 115.161 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -92.78 135.75 33.84 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 112.534 -2.121 . . . . 38.74 110.227 172.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -97.36 -21.24 17.32 Favored 'General case' 0 CA--C 1.454 -2.726 0 CA-C-O 115.206 -2.33 . . . . 74.08 115.996 -174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -131.4 41.11 3.35 Favored 'General case' 0 C--O 1.276 2.495 0 CA-C-N 120.952 1.705 . . . . 90.48 113.109 -163.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.76 139.15 18.38 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 125.523 1.529 . . . . 41.46 107.584 176.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.78 139.75 38.58 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 113.685 -1.598 . . . . 49.29 110.257 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.945 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 0.5 OUTLIER -47.24 -43.49 21.92 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.836 2.585 . . . . 52.58 110.709 178.577 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.82 -19.64 65.96 Favored 'General case' 0 C--O 1.258 1.521 0 N-CA-C 116.711 2.115 . . . . 47.35 116.711 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -97.94 19.3 14.13 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 117.773 -1.571 . . . . 40.02 113.746 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.78 121.54 62.88 Favored 'Isoleucine or valine' 0 C--O 1.277 2.507 0 CA-C-O 114.965 -2.445 . . . . 35.64 110.947 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -67.49 -47.94 68.56 Favored 'General case' 0 C--O 1.265 1.88 0 O-C-N 125.378 1.674 . . . . 54.12 110.505 168.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -161.35 165.55 28.83 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 107.462 -1.31 . . . . 29.84 107.462 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.44 142.81 33.61 Favored 'General case' 0 C--O 1.185 -2.318 0 N-CA-C 106.871 -1.529 . . . . 29.51 106.871 166.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -119.38 116.28 25.85 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 107.609 -1.256 . . . . 36.64 107.609 165.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -102.55 107.95 23.02 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.217 0 CA-C-N 115.256 -0.884 . . . . 31.26 108.665 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -81.33 141.85 33.63 Favored 'General case' 0 C--O 1.186 -2.25 0 N-CA-C 108.832 -0.803 . . . . 29.19 108.832 -165.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.7 75.22 8.25 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 107.453 -1.314 . . . . 31.6 107.453 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.0 p -132.92 72.29 77.11 Favored Pre-proline 0 N--CA 1.517 2.89 0 O-C-N 127.274 2.859 . . . . 31.23 107.861 -171.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -67.96 -15.88 44.31 Favored 'Trans proline' 0 CA--C 1.589 3.256 0 C-N-CA 116.626 -1.783 . . . . 52.9 111.848 -179.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.258 84.3 m-20 -74.34 -9.58 58.74 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.667 -2.521 . . . . 44.38 111.147 177.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.8 m -117.09 150.99 37.76 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 116.722 -1.608 . . . . 35.01 110.212 -160.616 -64.04 -70.856 -85.104 104.136 2.118 104.063 -74.2 -83.518 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.36 -34.85 61.18 Favored 'General case' 0 C--O 1.195 -1.815 0 O-C-N 124.74 1.275 . . . . 41.17 113.587 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.19 124.0 44.65 Favored 'General case' 0 N--CA 1.403 -2.817 0 CA-C-O 121.946 0.879 . . . . 34.33 109.616 -171.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -123.51 -1.35 8.57 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 113.782 -1.554 . . . . 36.7 113.284 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -108.06 124.58 64.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.316 0 CA-C-O 124.106 1.907 . . . . 31.6 108.981 -171.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -120.89 134.8 63.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 C-N-CA 125.643 1.577 . . . . 27.03 109.068 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.52 133.17 53.04 Favored 'General case' 0 N--CA 1.518 2.927 0 O-C-N 124.432 1.082 . . . . 26.99 111.67 171.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -96.88 124.29 40.82 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.905 -1.887 . . . . 53.93 105.905 168.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.31 141.17 28.88 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-O 122.772 1.272 . . . . 32.24 109.865 -166.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -66.98 -46.8 73.48 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.917 2.191 . . . . 62.11 116.917 -179.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -66.65 -44.44 81.9 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 68.89 110.273 -174.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -120.79 0.41 10.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 117.377 2.362 . . . . 55.1 117.377 -173.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.5 t30 60.99 20.07 10.47 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 113.37 0.878 . . . . 55.57 113.37 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -79.35 148.6 31.98 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 105.707 -1.96 . . . . 68.69 105.707 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -100.0 124.58 45.51 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 124.545 1.153 . . . . 52.83 110.897 162.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 m -127.53 148.65 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.836 0 CA-C-O 123.759 1.743 . . . . 29.18 110.735 -178.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.36 140.0 29.98 Favored 'General case' 0 CA--C 1.49 -1.363 0 O-C-N 118.759 -2.463 . . . . 31.02 108.488 172.254 -60.971 -111.562 -85.115 105.328 2.083 105.057 -66.323 -77.296 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.411 HD12 HD11 ' A' ' 58' ' ' ILE . 20.0 pt -120.3 158.25 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.263 0 CA-C-O 124.483 2.087 . . . . 38.07 114.235 -175.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -65.45 117.37 39.96 Favored Pre-proline 0 N--CA 1.4 -2.943 0 CA-C-N 114.309 -1.314 . . . . 37.3 113.041 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.76 -17.24 52.07 Favored 'Trans proline' 0 C--N 1.321 -0.876 0 O-C-N 125.116 2.114 . . . . 39.18 114.429 -175.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -79.44 -10.36 59.79 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.03 2.233 . . . . 66.85 117.03 172.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.5 mt -48.39 125.07 8.96 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 119.983 -1.698 . . . . 52.28 110.452 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -65.53 -37.94 88.19 Favored 'General case' 0 N--CA 1.411 -2.389 0 C-N-CA 119.002 -1.079 . . . . 121.01 110.339 -165.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.471 ' CE3' ' HG3' ' A' ' 20' ' ' ARG . 58.6 p-90 -63.78 -16.12 60.41 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 116.416 2.006 . . . . 42.61 116.416 -175.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD11 HD12 ' A' ' 51' ' ' ILE . 55.7 mt -71.58 -41.43 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 105.327 -2.101 . . . . 41.49 105.327 -166.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.71 -40.71 84.26 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.827 -1.545 . . . . 77.77 106.827 -170.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -68.25 -41.06 81.68 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.271 -0.893 . . . . 120.58 111.51 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.28 -47.64 84.61 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 113.436 0.902 . . . . 35.24 113.436 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.81 -36.04 79.7 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.518 1.303 . . . . 35.86 114.518 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.69 -45.07 95.55 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.277 1.037 . . . . 78.98 108.662 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -55.05 -47.38 74.9 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.623 1.202 . . . . 78.41 114.112 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -24.47 46.95 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 116.816 2.154 . . . . 32.97 116.816 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.61 -1.29 45.99 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-O 115.802 -2.047 . . . . 47.81 115.322 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 55.25 59.22 4.09 Favored 'General case' 0 N--CA 1.534 3.729 0 N-CA-C 104.337 -2.468 . . . . 75.6 104.337 159.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt . . . . . 0 N--CA 1.51 2.545 0 N-CA-C 117.457 2.392 . . . . 99.6 117.457 -168.962 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.945 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_